N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide

C19H23FN2OS — CID 162391812

IUPACN-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide
SMILESCCc1cc(S(=O)c2ccccc2F)c(C)cc1/N=C/N(C)CC
InChIInChI=1S/C19H23FN2OS/c1-5-15-12-19(24(23)18-10-8-7-9-16(18)20)14(3)11-17(15)21-13-22(4)6-2/h7-13H,5-6H2,1-4H3/b21-13+
InChIKeyYFENTLKZJKLVCT-FYJGNVAPSA-N
MW346.47 g/mol
LogP4.47
Rot. Bonds6

About N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide (PubChem CID 162391812) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide
PubChem CID162391812
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide
SMILESCCc1cc(S(=O)c2ccccc2F)c(C)cc1/N=C/N(C)CC
InChIInChI=1S/C19H23FN2OS/c1-5-15-12-19(24(23)18-10-8-7-9-16(18)20)14(3)11-17(15)21-13-22(4)6-2/h7-13H,5-6H2,1-4H3/b21-13+
InChIKeyYFENTLKZJKLVCT-FYJGNVAPSA-N
XLogP4.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide (CID 162391812) is N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide is CCc1cc(S(=O)c2ccccc2F)c(C)cc1/N=C/N(C)CC.
What is the InChIKey of N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide?
The InChIKey is YFENTLKZJKLVCT-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-5-15-12-19(24(23)18-10-8-7-9-16(18)20)14(3)11-17(15)21-13-22(4)6-2/h7-13H,5-6H2,1-4H3/b21-13+.
What are the key properties of N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide has a molecular weight of 346.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-ethyl-4-(2-fluorophenyl)sulfinyl-5-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 162391812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).